SCHEMBL9736150

SCHEMBL9736150

O=C(O)CCCCCCCCCCCC(O)C1=CC(=O)OC1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
CDC25A P30304 5/20 0.38
CDC25B P30305 5/20 0.38
LTB4R Q15722 1/20 0.37
TRPA1 O75762 2/20 0.37
NR4A2 P43354 2/20 0.37
F13A1 P00488 3/20 0.36
GSTK1 Q9Y2Q3 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9669858 0.80 PDCD4 (0.36) FFAR4FFAR1TRPA1NR4A2PTGER4
SCHEMBL9669841 0.80 PDCD4 (0.36) FFAR4FFAR1TRPA1NR4A2PTGER4
SCHEMBL9838197 0.74 F13A1 (0.46) F13A1
SCHEMBL6907995 0.64 TBXAS1 (0.58) FFAR4FFAR1LTB4R
SCHEMBL9308449 0.64 TBXAS1 (0.58) FFAR4FFAR1LTB4R
SCHEMBL2181858 0.63 FFAR4 (0.79) FFAR4FFAR1GSTK1
SCHEMBL5742369 0.63 FFAR4 (0.79) FFAR4FFAR1GSTK1
SCHEMBL15009701 0.63 FFAR4 (0.79) FFAR4FFAR1GSTK1
SCHEMBL5672920 0.63 FFAR4 (0.79) FFAR4FFAR1GSTK1
SCHEMBL22612709 0.63 FFAR4 (0.79) FFAR4FFAR1GSTK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed